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Sugi Predict / Compounds / SCHEMBL6226554

SCHEMBL6226554

SCHEMBL6226554

O=C(O)c1cccc(P(c2cccc(C(=O)O)c2)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA6 P23280 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KMO O15229 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ DAO P14920 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ UNG P13051 1/20 0.50
▸ FOLH1 Q04609 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ RXRA P19793 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL988976 0.96 KMO (0.53) CA12CA1CA2CA6CA9
SCHEMBL9340230 0.96 KMO (0.53) CA12CA1CA2CA6CA9
SCHEMBL31598432 0.96 KMO (0.53) CA12CA1CA2CA6CA9
SCHEMBL10826507 0.90 CES2 (0.55) CA12CA1CA2CA6CA9
SCHEMBL31338512 0.84 CA12 (0.54) CA12CA1CA2CA6CA9
SCHEMBL31057775 0.84 CES2 (0.59) AKR1C3CES2MEN1KMT2AMAPT
SCHEMBL31057846 0.84 CES2 (0.59) AKR1C3CES2MEN1KMT2AMAPT
Benzoic Acid SCHEMBL27537937 0.81 TSHR (0.70) CA1CA2KMOCYP2C9DAO
SCHEMBL12313447 0.80 TDP1 (0.52) KMODAOTSHRNAPRTCES2
Isophthalic Acid SCHEMBL22462 0.80 CA12 (0.71) CA12CA1CA2CA6CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884751-B2 Production of hydrocyanation catalysts RHODIA FEBER & RESIN INTERMEDAITES (FR) 2005-04-26 — — US claimed
EP-0876217-B1 PROCESS FOR THE ELECTROCHEMICAL PREPARATION OF CATALYSTS BASED ON TRANSITION METAL AND PHOSPHINE RHODIA POLYAMIDE INTERMEDIATES (FR) 2003-10-15 — — EP claimed
US-20020026066-A1 Production of hydrocyanation catalysts RHODIA FIBER AND RESIN INTERMEDIATES (FR) 2002-02-28 — — US claimed
US-5908805-A COORDINATION COMPLEX OF TRANSITION METAL, PHOSPHINE BY REDUCTION, HYDROGENATION OF AQUEOUS SOLUTION R.P. FIBER & RESIN INTERMEDIATES (FR) 1999-06-01 — — US claimed
US-5876587-A Electrochemical synthesis of transition metal/phosphine catalysts RHONE-POULENC CHIMIE (FR) 1999-03-02 — — US claimed
EP-0789551-A4 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1998-12-02 — — EP claimed
EP-0876214-A1 PROCESS FOR THE PREPARATION BY HYDROGENATION OF CATALYSTS BASED ON A TRANSITION METAL AND PHOSPHINE RHODIA FIBER & RESIN INTERMEDIATES (FR) 1998-11-11 — — EP claimed
EP-0876217-A1 PROCESS FOR THE ELECTROCHEMICAL PREPARATION OF CATALYSTS BASED ON TRANSITION METAL AND PHOSPHINE RHODIA FIBER & RESIN INTERMEDIATES (FR) 1998-11-11 — — EP claimed
EP-0789551-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU, John R. (US) 1997-08-20 — — EP claimed
WO-1997024183-A1 PROCESS FOR THE PREPARATION BY HYDROGENATION OF CATALYSTS BASED ON A TRANSITION METAL AND PHOSPHINE RHODIA FIBER AND RESIN INTERMEDIATES (FR) 1997-07-10 — — WO claimed
WO-1997024184-A1 PROCESS FOR THE ELECTROCHEMICAL PREPARATION OF CATALYSTS BASED ON TRANSITION METAL AND PHOSPHINE RHODIA FIBER AND RESIN INTERMEDIATES (FR) 1997-07-10 — — WO claimed
WO-1997011672-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1997-04-03 — — WO claimed
EP-1144112-B1 METHOD FOR MAKING A HYDROCYANATION CATALYST RHODIA POLYAMIDE INTERMEDIATES (FR) 2005-07-20 — — EP disclosed
US-6884751-B2 Production of hydrocyanation catalysts RHODIA FEBER & RESIN INTERMEDAITES (FR) 2005-04-26 — — US disclosed
EP-1140801-B1 HYDROCYANATION METHOD FOR ETHYLENICALLY UNSATURATED ORGANIC COMPOUNDS RHODIA POLYAMIDE INTERMEDIATES (FR) 2005-02-23 — — EP disclosed
US-20030204109-A1 Purified by at least partially removing contaminating sulfite values therefrom by decreasing the pH of a solution of such sulfonated organophosphorus compounds to a value of less than or equal to 4 RHODIA FIBER 2003-10-30 — — US disclosed
US-5208135-A Infrared Sensitive, Photocurable MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-05-04 — — US disclosed
EP-0444786-A1 Preparation and use of dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-04 — — EP disclosed
EP-0173563-B1 SUPERSENSITIZATION OF SILVER HALIDE EMULSIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-05 — — EP disclosed
US-4578347-A WATER SOLUBLE TRIARYL PHOSPHINE, ARSINE, AMINE, BISMUTHINE OR STIBINE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-03-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030204109-A1 Purified by at least partially removing contaminating sulfite values therefrom by decreasing the pH of a solution of such sulfonated organophosphorus compounds to a value of less than or equal to 4 NOTUM, THEM6, ORMDL3 CA12 144/4885CA1 279/4885CA2 47/4885
US-20020026066-A1 Production of hydrocyanation catalysts NOS2, NISCH, NOS1 CA12 1473/4885CA1 760/4885CA2 602/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.